2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene

C24H20F6O — CID 118858642

IUPAC2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C24H20F6O/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-19(23(27)22(17)26)18-11-13-21(20(25)14-18)31-24(28,29)30/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeySUUOGLKALUXTAP-UHFFFAOYSA-N
MW438.41 g/mol
LogP7.41
Rot. Bonds7

About 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene

2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 118858642) has the molecular formula C24H20F6O and a molecular weight of 438.41 g/mol. Its IUPAC name is 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID118858642
Molecular FormulaC24H20F6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC Name2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C24H20F6O/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-19(23(27)22(17)26)18-11-13-21(20(25)14-18)31-24(28,29)30/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeySUUOGLKALUXTAP-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 118858770
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
2,3-difluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858776
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850801
2-[difluoro-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 59329592
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 118603340
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
2-fluoro-4-[4-(4-hexylphenyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436396
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873522
1-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118858470
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene (CID 118858642) is 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is SUUOGLKALUXTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6O/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-19(23(27)22(17)26)18-11-13-21(20(25)14-18)31-24(28,29)30/h4-7,10-14H,2-3,8-9H2,1H3.
What are the key properties of 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 438.41 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 118858642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).